This dataset describes catalyst activity data for 4 sets, each of which includes 2000 unique compositions. The py3 dictionary .pck is indexed first by the plate_id (identifier for the dataset) and then keys such as “comp” that provides the metals composition for each catalyst and “fom” that provides the catalyst figure of merit (overpotential at 3 mA/cm2) for each catalyst.
The data is available for interactive visualization and download here.
If using this dataset in a publication, please cite:
Brian Rohr, Helge S. Stein, Dan Guevarra, Yu Wang, Joel A. Haber, Muratahan Aykol, Santosh K. Suram, John Gregoire, Benchmarking the acceleration of materials discovery by sequential learning, Chem. Sci., 11, 2696-2706 (2020).
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